[1-[[4-(3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol

C17H26N4O2 — CID 166141719

IUPAC[1-[[4-(3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol
SMILESCC1CCCN(c2nc(OCC3(CO)CC3)nc3c2CNC3)C1
InChIInChI=1S/C17H26N4O2/c1-12-3-2-6-21(9-12)15-13-7-18-8-14(13)19-16(20-15)23-11-17(10-22)4-5-17/h12,18,22H,2-11H2,1H3
InChIKeyOURUOLMNTBANSP-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.47
Rot. Bonds5

About [1-[[4-(3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol

[1-[[4-(3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol (PubChem CID 166141719) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is [1-[[4-(3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[4-(3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol
PubChem CID166141719
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name[1-[[4-(3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol
SMILESCC1CCCN(c2nc(OCC3(CO)CC3)nc3c2CNC3)C1
InChIInChI=1S/C17H26N4O2/c1-12-3-2-6-21(9-12)15-13-7-18-8-14(13)19-16(20-15)23-11-17(10-22)4-5-17/h12,18,22H,2-11H2,1H3
InChIKeyOURUOLMNTBANSP-UHFFFAOYSA-N
XLogP1.47
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-(3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol?
The IUPAC name of [1-[[4-(3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol (CID 166141719) is [1-[[4-(3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[4-(3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[4-(3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol is CC1CCCN(c2nc(OCC3(CO)CC3)nc3c2CNC3)C1.
What is the InChIKey of [1-[[4-(3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol?
The InChIKey is OURUOLMNTBANSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-3-2-6-21(9-12)15-13-7-18-8-14(13)19-16(20-15)23-11-17(10-22)4-5-17/h12,18,22H,2-11H2,1H3.
What are the key properties of [1-[[4-(3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol?
[1-[[4-(3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol has a molecular weight of 318.42 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol is sourced from PubChem (CID 166141719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).